CID 201551

6224-47-1

Structural Information

Molecular Formula
C16H22N2
SMILES
CC(C)[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C(C)C
InChI
InChI=1S/C16H22N2/c1-13(2)17-9-5-15(6-10-17)16-7-11-18(12-8-16)14(3)4/h5-14H,1-4H3/q+2
InChIKey
PEEXYZNONDIJMD-UHFFFAOYSA-N
Compound name
1-propan-2-yl-4-(1-propan-2-ylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

242.1783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 161.4
[M+Na]+ 265.16752 168.0
[M-H]- 241.17102 165.8
[M+NH4]+ 260.21212 175.5
[M+K]+ 281.14146 153.6
[M+H-H2O]+ 225.17556 157.9
[M+HCOO]- 287.17650 179.5
[M+CH3COO]- 301.19215 185.1
[M+Na-2H]- 263.15297 168.9
[M]+ 242.17775 159.2
[M]- 242.17885 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.